3,4-dihydro-2H-quinolin-1-yl-(4-propan-2-yl-1,3-oxazol-5-yl)methanone

C16H18N2O2 — CID 110685050

IUPAC3,4-dihydro-2H-quinolin-1-yl-(4-propan-2-yl-1,3-oxazol-5-yl)methanone
SMILESCC(C)c1ncoc1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C16H18N2O2/c1-11(2)14-15(20-10-17-14)16(19)18-9-5-7-12-6-3-4-8-13(12)18/h3-4,6,8,10-11H,5,7,9H2,1-2H3
InChIKeyREHQEFVXOSTERV-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.39
Rot. Bonds2

About 3,4-dihydro-2H-quinolin-1-yl-(4-propan-2-yl-1,3-oxazol-5-yl)methanone

3,4-dihydro-2H-quinolin-1-yl-(4-propan-2-yl-1,3-oxazol-5-yl)methanone (PubChem CID 110685050) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(4-propan-2-yl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(4-propan-2-yl-1,3-oxazol-5-yl)methanone
PubChem CID110685050
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(4-propan-2-yl-1,3-oxazol-5-yl)methanone
SMILESCC(C)c1ncoc1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C16H18N2O2/c1-11(2)14-15(20-10-17-14)16(19)18-9-5-7-12-6-3-4-8-13(12)18/h3-4,6,8,10-11H,5,7,9H2,1-2H3
InChIKeyREHQEFVXOSTERV-UHFFFAOYSA-N
XLogP3.39
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
CID 110684715
3,4-dihydro-2H-quinolin-1-yl-(6-propan-2-ylpyridazin-3-yl)methanone
CID 113200410
(3-aminofuran-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 139690672
3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179730
2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 3271608
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
3,4-dihydro-2H-quinolin-1-yl-(2-propan-2-yloxyphenyl)methanone
CID 86893884
3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374099
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 19579066
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-3-carboxylic acid
CID 117218335
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrazole-4-carboxylic acid
CID 117219041
3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone
CID 5061013

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(4-propan-2-yl-1,3-oxazol-5-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(4-propan-2-yl-1,3-oxazol-5-yl)methanone (CID 110685050) is 3,4-dihydro-2H-quinolin-1-yl-(4-propan-2-yl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(4-propan-2-yl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(4-propan-2-yl-1,3-oxazol-5-yl)methanone is CC(C)c1ncoc1C(=O)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(4-propan-2-yl-1,3-oxazol-5-yl)methanone?
The InChIKey is REHQEFVXOSTERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(2)14-15(20-10-17-14)16(19)18-9-5-7-12-6-3-4-8-13(12)18/h3-4,6,8,10-11H,5,7,9H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(4-propan-2-yl-1,3-oxazol-5-yl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(4-propan-2-yl-1,3-oxazol-5-yl)methanone has a molecular weight of 270.33 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(4-propan-2-yl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 110685050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).